Category:Exchange-correlation functionals
Theoretical Background
How to
- meta GGA's: METAGGA.
A comprehensive documentation on the usage of metaGGA functionals in VASP is given here: METAGGA.
Subcategories
This category has the following 5 subcategories, out of 5 total.
Pages in category "Exchange-correlation functionals"
The following 118 pages are in this category, out of 118 total.
B
D
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- LASPH
- LDAU
- LDAUJ
- LDAUL
- LDAUPRINT
- LDAUTYPE
- LDAUU
- LEXCH
- LFOCKACE
- LFOCKAEDFT
- LHFCALC
- LIBMBD ALPHA
- LIBMBD C6AU
- LIBMBD K GRID
- LIBMBD K GRID SHIFT
- LIBMBD MBD A
- LIBMBD MBD BETA
- LIBMBD METHOD
- LIBMBD N OMEGA GRID
- LIBMBD PARALLEL MODE
- LIBMBD R0AU
- LIBMBD TS D
- LIBMBD TS SR
- LIBMBD VDW PARAMS KIND
- LIBMBD XC
- LIBXC1
- LIBXC1 Pn
- LIBXC2
- LIBXC2 Pn
- List of hybrid functionals
- LMAXFOCK
- LMAXTAU
- LMIXTAU
- LMODELHF
- LRHFCALC
- LSCALER0
- LSCSGRAD
- LSPIN VDW
- LTBOUNDLIBXC
- LTHOMAS
- LTSSURF
- LUSE VDW
- LVDW EWALD
- LVDWEXPANSION
- LVDWSCS